2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde

C16H15NO — CID 135285014

IUPAC2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(C23CNCC2C3)ccc2ccccc12
InChIInChI=1S/C16H15NO/c18-9-14-13-4-2-1-3-11(13)5-6-15(14)16-7-12(16)8-17-10-16/h1-6,9,12,17H,7-8,10H2
InChIKeyNXJUJBSMAQPVBE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.51
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde

2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde (PubChem CID 135285014) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
PubChem CID135285014
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(C23CNCC2C3)ccc2ccccc12
InChIInChI=1S/C16H15NO/c18-9-14-13-4-2-1-3-11(13)5-6-15(14)16-7-12(16)8-17-10-16/h1-6,9,12,17H,7-8,10H2
InChIKeyNXJUJBSMAQPVBE-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde (CID 135285014) is 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde is O=Cc1c(C23CNCC2C3)ccc2ccccc12.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is NXJUJBSMAQPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-9-14-13-4-2-1-3-11(13)5-6-15(14)16-7-12(16)8-17-10-16/h1-6,9,12,17H,7-8,10H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde?
2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 135285014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).